(Z)-but-2-enedioic acid; 10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazine Openeye Name: maleic acid; 10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 10-[6-(4-methyl-1-piperazinyl)hexyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazine Traditional Name: maleic acid; 10-[6-(4-methylpiperazino)hexyl]phenothiazine Formula: C31H39N3O8S MolecularWeight: 613.72166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCN2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C23H31N3S.2C4H4O4/c1-24-16-18-25(19-17-24)14-8-2-3-9-15-26-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)26;2*5-3(6)1-2-4(7)8/h4-7,10-13H,2-3,8-9,14-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-